| SpectraBase Compound ID | 1FKrYO0Vy56 |
|---|---|
| InChI | InChI=1S/C38H28N8O12S3.3Na/c39-23-6-12-30(29(40)16-23)44-43-26-11-5-21-14-32(60(53,54)55)35(37(48)28(21)17-26)45-41-24-7-1-19(2-8-24)20-3-9-25(10-4-20)42-46-36-33(61(56,57)58)15-22-13-27(59(50,51)52)18-31(47)34(22)38(36)49;;;/h1-18,47-49H,39-40H2,(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b44-43-,45-41-,46-42-;;; |
| InChIKey | QEHHFALTKZCHPS-ILEPYHRLSA-K |
| Mol Weight | 950.81130785 g/mol |
| Molecular Formula | C38H25N8Na3O12S3 |
| Exact Mass | 950.044715 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | A3PCsBUy6bq |
|---|---|
| Name | C.I.Direct Black 27, trisodium salt |
| CAS Registry Number | 6360-39-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H25N8Na3O12S3 |
| InChI | InChI=1S/C38H28N8O12S3.3Na/c39-23-6-12-30(29(40)16-23)44-43-26-11-5-21-14-32(60(53,54)55)35(37(48)28(21)17-26)45-41-24-7-1-19(2-8-24)20-3-9-25(10-4-20)42-46-36-33(61(56,57)58)15-22-13-27(59(50,51)52)18-31(47)34(22)38(36)49;;;/h1-18,47-49H,39-40H2,(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3/b44-43-,45-41-,46-42-;;; |
| InChIKey | QEHHFALTKZCHPS-ILEPYHRLSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |